diff --git a/examples/FKBP/README.md b/examples/FKBP/README.md index 71389e3..d0715b9 100644 --- a/examples/FKBP/README.md +++ b/examples/FKBP/README.md @@ -12,7 +12,7 @@ This example was contributed by Jung-Hsin Lin. Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) ---|---|---|---|--- -[1d7h-dmso/apbs-mol.in](1d7h-dmso/apbs-mol.in)|1d7h-dmso, 2-level focusing to 0.225 A, VdW surface, srfm mol|**1.4.2-binary**|**15.0081**|19.097 +[1d7h-dmso/apbs-mol.in](1d7h-dmso/apbs-mol.in)|1d7h-dmso, 2-level focusing to 0.225 A, VdW surface, srfm mol|**1.4.2**|**15.0081**|19.097 |||1.4.1|15.0081 |||1.4|15.0081[4](#4) |||1.3|15.0077 @@ -23,7 +23,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.5.1|15.0089 |||0.5.0|15.0089 |||0.4.0|15.0089 -[1d7h-dmso/apbs-smol.in](1d7h-dmso/apbs-smol.in)|1d7h-dmso, 2-level focusing to 0.225 A, VdW surface, srfm smol|**1.4.2-binary**|**16.2445**|19.097 +[1d7h-dmso/apbs-smol.in](1d7h-dmso/apbs-smol.in)|1d7h-dmso, 2-level focusing to 0.225 A, VdW surface, srfm smol|**1.4.2y**|**16.2445**|19.097 |||1.4.1|16.2445 |||1.4|16.2445[4](#4) |||1.3|16.2446 @@ -45,7 +45,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.2.1|14.589 |||0.2.0|14.589 |||0.1.8|14.591 -[1d7i-dss/apbs-mol.in](1d7i-dss/apbs-mol.in)|1d7i-dss, 2-level focusing to 0.225 A, VdW surface, srfm mol|**1.4.2-binary**|**14.4250**|16.231 +[1d7i-dss/apbs-mol.in](1d7i-dss/apbs-mol.in)|1d7i-dss, 2-level focusing to 0.225 A, VdW surface, srfm mol|**1.4.2**|**14.4250**|16.231 |||1.4.1|14.4250 |||1.4|14.4250 |||1.3|14.4250 @@ -56,7 +56,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.5.1|14.4254 |||0.5.0|14.4254 |||0.4.0|14.4254 -[1d7i-dss/apbs-smol.in](1d7i-dss/apbs-smol.in)|1d7i-dss, 2-level focusing to 0.225 A, VdW surface, srfm smol|**1.4.2-binary**|**15.4515**|16.231 +[1d7i-dss/apbs-smol.in](1d7i-dss/apbs-smol.in)|1d7i-dss, 2-level focusing to 0.225 A, VdW surface, srfm smol|**1.4.2**|**15.4515**|16.231 |||1.4.1|15.4515 |||1.4|15.4515 |||1.3|15.4515 diff --git a/examples/actin-dimer/README.md b/examples/actin-dimer/README.md index 1df4968..f819f5e 100644 --- a/examples/actin-dimer/README.md +++ b/examples/actin-dimer/README.md @@ -7,7 +7,7 @@ This example was contributed by Dave Sept. Input File | Description | APBS Version | Results (kJ/mol) | UHBD (kJ/mol) ------------------------------------|-------------|--------------|------------------|-------------- -[apbs-mol-auto.in](apbs-mol-auto.in)| Sequential, 2-level focusing to ≤ 0.725 A, NPBE, srfm mol| **1.4.2-binary** | **104.868** | 106.7 (1.00 A res., NPBE) +[apbs-mol-auto.in](apbs-mol-auto.in)| Sequential, 2-level focusing to ≤ 0.725 A, NPBE, srfm mol| **1.4.2** | **104.868** | 106.7 (1.00 A res., NPBE) | | |1.4.1 |104.8683 | | |1.4 |104.8683 | | |1.3 | 104.8683[8](#8) @@ -18,7 +18,7 @@ Input File | Description | APBS Version | Results (kJ/m | | |0.5.1 |104.868[3](#3) | | |0.5.0 | 105.0338[2](#2) | | |0.4.0 |104.8895 -[apbs-smol-auto.in](apbs-smol-auto.in) | Sequential, 2-level focusing to ≤ 0.725 A, NPBE, srfm smol | **1.4.2-binary** | **109.584** | 106.7 (1.00 A res., NPBE) +[apbs-smol-auto.in](apbs-smol-auto.in) | Sequential, 2-level focusing to ≤ 0.725 A, NPBE, srfm smol | **1.4.2** | **109.584** | 106.7 (1.00 A res., NPBE) | | |1.4.1 | 109.5841 | | |1.4 |109.5841 | | |1.3 |109.5841[8](#8) @@ -40,7 +40,7 @@ Input File | Description | APBS Version | Results (kJ/m | | |0.2.1 |90.829 | | |0.2.0 |90.829 | | |0.1.8 |90.84 -| [apbs-mol-parallel.in](apbs-mol-parallel.in) |Parallel with 8 processors, focusing to \~0.9 A, LPBE, srfm mol |1.4.2-binary|**98.1746**|106.7 (1.00 A res., NPBE) +| [apbs-mol-parallel.in](apbs-mol-parallel.in) |Parallel with 8 processors, focusing to \~0.9 A, LPBE, srfm mol |**1.4.2**|**98.1746**|106.7 (1.00 A res., NPBE) |||1.4.1|98.1746 |||1.4|98.1746 |||1.3|98.1746[8](#8) @@ -51,7 +51,7 @@ Input File | Description | APBS Version | Results (kJ/m |||0.5.1|98.1654[3](#3) |||0.5.0|98.3530[2](#2) |||0.4.0|98.1834 -[apbs-smol-parallel.in](apbs-smol-parallel.in)|Parallel with 8 processors, focusing to \~0.9 A, LPBE, srfm smol|**1.4.2-binary**|**115.542**|106.7 (1.00 A res., NPBE) +[apbs-smol-parallel.in](apbs-smol-parallel.in)|Parallel with 8 processors, focusing to \~0.9 A, LPBE, srfm smol|**1.4.2**|**115.542**|106.7 (1.00 A res., NPBE) |||1.4.1|115.5421 |||1.4|115.5421[9](#9) |||1.3|115.5422[8](#8) diff --git a/examples/alkanes/README.md b/examples/alkanes/README.md index 01d917a..e953dbc 100644 --- a/examples/alkanes/README.md +++ b/examples/alkanes/README.md @@ -4,7 +4,7 @@ This example was contributed by Nathan Baker and Jason Wagoner. APBS Version|Alkane|SASA (Å2)|SASA energy (kJ/mol)|SAV (Å3)|SAV energy (kJ/mol)|WCA energy (kJ/mol)|Total nonpolar solvation energy (kJ/mol) ---|---|---|---|---|---|---|--- -**1.4.2-binary**|2-methylbutane|214.202|1.82072|253.665|60.7274|-48.1507|1.439740000000e+01 +**1.4.2**|2-methylbutane|214.202|1.82072|253.665|60.7274|-48.1507|1.439740000000e+01 ||butane|193.855|1.64777|217.863|52.1564|-41.7207|1.208350000000e+01 ||cyclohexane|221.799|1.88529|267.435|64.0239|-52.3691|1.354020000000e+01 ||cyclopentane|193.638|1.64593|217.998|52.1887|-44.471|9.363670000000e+00 diff --git a/examples/born/README.md b/examples/born/README.md index a5d919c..e292f9a 100644 --- a/examples/born/README.md +++ b/examples/born/README.md @@ -9,7 +9,7 @@ This example was contributed by Nathan Baker. Input File|Description|APBS Version|Results (kJ/mol)|Analytical (kJ/mol) ---|---|---|---|--- -[apbs-mol-auto.in](apbs-mol-auto.in)|Sequential, 3 A sphere, 3-level focusing to 0.188 A, srfm mol|**1.4.2-binary**|**-229.774**|-230.62 +[apbs-mol-auto.in](apbs-mol-auto.in)|Sequential, 3 A sphere, 3-level focusing to 0.188 A, srfm mol|**1.4.2**|**-229.774**|-230.62 |||1.4.1|-229.7736| |||1.4|-229.7736[3](#3) |||1.3|-229.7735 @@ -31,7 +31,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|Analytical (kJ/mol) |||0.2.1|-227.19 |||0.2.0|-227.19 |||0.1.8|-227.19 -[apbs-smol-auto.in](apbs-smol-auto.in)|Sequential, 3 A sphere, 3-level focusing to 0.188 A, srfm smol|**1.4.2-binary**|**-229.012**|-230.62 +[apbs-smol-auto.in](apbs-smol-auto.in)|Sequential, 3 A sphere, 3-level focusing to 0.188 A, srfm smol|**1.4.2**|**-229.012**|-230.62 |||1.4.1|-229.0124 |||1.4|-229.0124 |||1.3|-229.0124 @@ -42,7 +42,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|Analytical (kJ/mol) |||0.5.1|-229.0123 |||0.5.0|-229.0123 |||0.4.0|-229.0123 -[apbs-mol-parallel.in](apbs-mol-parallel.in)|Parallel with 4 processors, 3 A sphere, focusing to 0.103 A, srfm mol|**1.4.2-binary**|**-230.492**|-230.62 +[apbs-mol-parallel.in](apbs-mol-parallel.in)|Parallel with 4 processors, 3 A sphere, focusing to 0.103 A, srfm mol|**1.4.2**|**-230.492**|-230.62 |||1.4.1|-230.4918[4](#4)| |||1.4|-230.4919[3](#3) |||1.3|-230.4918 @@ -54,7 +54,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|Analytical (kJ/mol) |||0.5.0|-230.4916 |||0.4.0|-230.4916 |||0.2.1|-230.77 -[apbs-smol-parallel.in](apbs-smol-parallel.in)|Parallel with 4 processors, 3 A sphere, focusing to 0.103 A, srfm smol|**1.4.2-binary**|**-229.387**|-230.62 +[apbs-smol-parallel.in](apbs-smol-parallel.in)|Parallel with 4 processors, 3 A sphere, focusing to 0.103 A, srfm smol|**1.4.2**|**-229.387**|-230.62 |||1.4.1|-229.3871 |||1.4|-229.3871 |||1.3|-229.3871 diff --git a/examples/hca-bind/README.md b/examples/hca-bind/README.md index cf3ffba..20e8813 100644 --- a/examples/hca-bind/README.md +++ b/examples/hca-bind/README.md @@ -7,7 +7,7 @@ The UHBD calculations where performed using a van der Waals surface definition f Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) ---|---|---|---|--- -[apbs-mol.in](apbs-mol.in)|2-level focusing to 0.225 A, VdW surface, srfm mol|**1.4.2-binary**|**-2.4648**|-70.00 +[apbs-mol.in](apbs-mol.in)|2-level focusing to 0.225 A, VdW surface, srfm mol|**1.4.2**|**-2.4648**|-70.00 |||1.4.1|-52.4648[6](#6) |||1.4|-51.4648[5](#5) |||1.3|-52.4647 @@ -18,7 +18,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.5.1|-52.4669[3](#3) |||0.5.0|-52.1062[2](#2) |||0.4.0|-52.4414 -[apbs-smol.in](apbs-smol.in)|2-level focusing to 0.225 A, VdW surface, srfm smol|**1.4.2-binary**|**-54.0598**|-70.00 +[apbs-smol.in](apbs-smol.in)|2-level focusing to 0.225 A, VdW surface, srfm smol|**1.4.2y**|**-54.0598**|-70.00 |||1.4.1|-54.0598 |||1.3|-54.0598 |||1.2.1|-54.0598 diff --git a/examples/ion-pmf/README.md b/examples/ion-pmf/README.md index 653fad2..c4ad24f 100644 --- a/examples/ion-pmf/README.md +++ b/examples/ion-pmf/README.md @@ -34,7 +34,7 @@ Mol 1 location|QF||DB||IB|| 2.50|4.6E+01|-4.8E+01|6.3E+01|-2.1E+01|0|0 3.00|3.8E+01|-3.8E+01|6.3E+00|-6.3E+00|0|0 -Here are the results from APBS 1.4.2-binary: +Here are the results from APBS 1.4.2: x = 1.000 diff --git a/examples/ion-protein/README.md b/examples/ion-protein/README.md index 36d77bc..11793fc 100644 --- a/examples/ion-protein/README.md +++ b/examples/ion-protein/README.md @@ -7,7 +7,7 @@ This example was contributed by Dave Sept. Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) ---|---|---|---|---| -[apbs-mol-pdiel2.in](apbs-mol-pdiel2.in)|0.53 A resolution, pdie 2, srfm mol|**1.4.2-binary**|**15.5916**|23.58 +[apbs-mol-pdiel2.in](apbs-mol-pdiel2.in)|0.53 A resolution, pdie 2, srfm mol|**1.4.2**|**15.5916**|23.58 |||1.4.1|15.5916 |||1.4|15.5916 |||1.3|15.5916[3](#3) @@ -18,7 +18,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.5.1|15.5916 |||0.5.0|15.5916 |||0.4.0|15.5916 -[apbs-smol-pdiel2.in](apbs-smol-pdiel2.in)|0.53 A resolution, pdie 2, srfm smol|**1.4.2-binary**|**23.5554**|23.58 +[apbs-smol-pdiel2.in](apbs-smol-pdiel2.in)|0.53 A resolution, pdie 2, srfm smol|**1.4.2**|**23.5554**|23.58 |||1.4.1|23.5554 |||1.4|23.5554 |||1.3|23.5554[3](#3) @@ -40,7 +40,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.2.1|21.453 |||0.2.0|21.453 |||0.1.8|21.45 -[apbs-mol-pdiel12.in](apbs-mol-pdiel12.in)|0.53 A resolution, pdie 12, srfm mol|**1.4.2-binary**|**18.0272**|23.58 +[apbs-mol-pdiel12.in](apbs-mol-pdiel12.in)|0.53 A resolution, pdie 12, srfm mol|**1.4.2**|**18.0272**|23.58 |||1.4.1|18.0272 |||1.4|18.0272 |||1.3|18.0272[3](#3) @@ -51,7 +51,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.5.1|18.0272 |||0.5.0|18.0272 |||0.4.0|18.0272 -[apbs-smol-pdiel12.in](apbs-smol-pdiel12.in)|0.53 A resolution, pdie 12, srfm smol|**1.4.2-binary**|**19.2825**|23.58 +[apbs-smol-pdiel12.in](apbs-smol-pdiel12.in)|0.53 A resolution, pdie 12, srfm smol|**1.4.2**|**19.2825**|23.58 |||1.4.1|19.2825 |||1.4|19.2825 |||1.3|19.2825[3](#3) diff --git a/examples/ionize/README.md b/examples/ionize/README.md index 017bb7a..b511d7e 100644 --- a/examples/ionize/README.md +++ b/examples/ionize/README.md @@ -6,7 +6,7 @@ The example input files in this directory calculate electrostatic contributions Input File|Description|APBS Version|Results (kJ/mol)||||UHBD (kJ/mol)|||| ---|---|---|---|---|---|---|---|---|---|--- ||||Acetic Acid|Acetate|Proton|Ionization Energy|Acetic Acid|Acetate|Proton|Ionization Energy -[apbs-mol.in](apbs-mol.in)|3-level focusing to 0.094 A, srfm mol|**1.4.2-binary**|**-22.6788**|**-199.746**|**-297.46**|**-474.527**|-22.22|-198.04|-295.79|-471.61 +[apbs-mol.in](apbs-mol.in)|3-level focusing to 0.094 A, srfm mol|**1.4.2**|**-22.6788**|**-199.746**|**-297.46**|**-474.527**|-22.22|-198.04|-295.79|-471.61 |||1.4.1|-22.6788|-199.7463|-297.4598|-474.5273 |||1.4|-22.6788|-199.7463|-297.4598|-474.5273 |||1.3|-22.6788|-199.7463|-297.4598|-474.5273 @@ -28,7 +28,7 @@ Input File|Description|APBS Version|Results (kJ/mol)||||UHBD (kJ/mol)|||| |||0.2.1|-22.627|-195.305|-290.859|-463.537 |||0.2.0|-22.627|-195.305|-290.859|-463.537 |||0.1.8|-22.63|-195.31|-290.86|-463.54 -[apbs-smol.in](apbs-smol.in)|3-level focusing to 0.094 A, srfm smol|**1.4.2-binary**|**-22.3305**|**-198.488**|**-295.967**|**-472.125**|-22.22|-198.04|-295.79|-471.61 +[apbs-smol.in](apbs-smol.in)|3-level focusing to 0.094 A, srfm smol|**1.4.2**|**-22.3305**|**-198.488**|**-295.967**|**-472.125**|-22.22|-198.04|-295.79|-471.61 |||1.4.1|-22.3305|-198.4883|-295.9669|-472.1247 |||1.4|-22.3305|-198.4883|-295.9669|-472.1247 |||1.3|-22.3305|-198.4883|-295.9669|-472.1247 diff --git a/examples/pka-lig/README.md b/examples/pka-lig/README.md index ead53af..478e6af 100644 --- a/examples/pka-lig/README.md +++ b/examples/pka-lig/README.md @@ -7,7 +7,7 @@ This example was contributed by Chung Wong. Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) ---|---|---|---|--- -[apbs-mol-vdw.in](apbs-mol-vdw.in)|2-level focusing to 0.250 A spacing, VdW surface, srfm mol|**1.4.2-binary**|**8.08352**|8.876 +[apbs-mol-vdw.in](apbs-mol-vdw.in)|2-level focusing to 0.250 A spacing, VdW surface, srfm mol|**1.4.2**|**8.08352**|8.876 |||1.4.1|8.0835 |||1.4|8.0835 |||1.3|8.0835 @@ -18,7 +18,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.5.1|8.0858[3](#3) |||0.5.0|8.0640 ||||0.4.0|8.0640 -[apbs-smol-vdw.in](apbs-smol-vdw.in)|2-level focusing to 0.250 A spacing, VdW surface, srfm smol|**1.4.2-binary**|**20.9630**|8.876 +[apbs-smol-vdw.in](apbs-smol-vdw.in)|2-level focusing to 0.250 A spacing, VdW surface, srfm smol|**1.4.2**|**20.9630**|8.876 |||1.4.1|20.9630 |||1.4|20.9630 |||1.3|20.9630 @@ -40,7 +40,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.2.1|6.647 |||0.2.0|6.647 |||0.1.8|6.65 -[apbs-mol-surf.in](apbs-mol-surf.in)|2-level focusing to 0.250 A spacing, molecular surface, srfm mol|**1.4.2-binary**|**119.2610**|86.50 +[apbs-mol-surf.in](apbs-mol-surf.in)|2-level focusing to 0.250 A spacing, molecular surface, srfm mol|**1.4.2**|**119.2610**|86.50 |||1.4.1|119.2608 |||1.4|119.2608 |||1.3|119.2608 @@ -51,7 +51,7 @@ Input File|Description|APBS Version|Results (kJ/mol)|UHBD (kJ/mol) |||0.5.1|119.2607[3](#3) |||0.5.0|119.2347 |||0.4.0|119.2347 -[apbs-smol-surf.in](apbs-smol-surf.in)|2-level focusing to 0.250 A spacing, molecular surface, srfm smol|**1.4.2-binary**|**108.8770**|86.50 +[apbs-smol-surf.in](apbs-smol-surf.in)|2-level focusing to 0.250 A spacing, molecular surface, srfm smol|**1.4.2**|**108.8770**|86.50 |||1.4.1|108.8773 |||1.4|108.8773[5](#5) |||1.3|108.8748 diff --git a/examples/point-pmf/README.md b/examples/point-pmf/README.md index 25e96dd..986f79c 100644 --- a/examples/point-pmf/README.md +++ b/examples/point-pmf/README.md @@ -10,7 +10,7 @@ This example was contributed by Nathan Baker. Input File|Description|APBS Version|Results (kJ/mol)||||Analytical (kJ/mol)|||| ---|---|---|---|---|---|---|---|---|---|--- ||||1 A Dist|2 A Dist|3 A Dist|4 A Dist|1 A Dist|2 A Dist|3 A Dist|4 A Dist -[apbs.in](apbs.in)|Focusing to 0.21 A, srfm spl2|**1.4.2-binary**|**18.3082**|**8.90669**|**5.9096**|**4.43014**|17.686|8.843|5.89533|4.4215 +[apbs.in](apbs.in)|Focusing to 0.21 A, srfm spl2|**1.4.2**|**18.3082**|**8.90669**|**5.9096**|**4.43014**|17.686|8.843|5.89533|4.4215 |||1.4.1|18.3082|8.9067|5.9096|4.4301 |||1.4|18.3082|8.9067|5.9096|4.4301 |||1.3|18.3082|8.9067|5.9096|4.4301 diff --git a/examples/protein-rna/README.md b/examples/protein-rna/README.md index 6fc157d..fe239ed 100644 --- a/examples/protein-rna/README.md +++ b/examples/protein-rna/README.md @@ -26,7 +26,7 @@ in tcsh. Then simply type 'make' to run the example. Input file|Description|APBS version|APBS results||Draper PB results||Draper experimental results|| ---|---|---|---|---|---|---|---|--- ||||n = -(d Δ G)/(d ln [KCl])/RT|-d( Δ G)/(d log10 [KCl]) (kcal)|n = -(d Δ G)/(d ln [KCl])/RT|-d( Δ G)/(d log10 [KCl]) (kcal)|n = -(d Δ G)/(d ln [KCl])/RT|-d( Δ G)/(d log10 [KCl]) (kcal) -'make all'|Run a series of binding energy calculations at different ionic strengths|**1.4.2-binary**|**-(4.52831 ± 0.0758878)**|**6.1561 ± 0.109612**|-(4.3 ± 0.2)|5.9 ± 0.2|-(4.4 ± 0.2)|6.0 ± 0.2 +'make all'|Run a series of binding energy calculations at different ionic strengths|**1.4.2**|**-(4.52831 ± 0.0758878)**|**6.1561 ± 0.109612**|-(4.3 ± 0.2)|5.9 ± 0.2|-(4.4 ± 0.2)|6.0 ± 0.2 | |1.0.0 |-(4.52 ± 0.08)|6.2 ± 0.1 Please see the ChangeLog or the [APBS website](http://www.poissonboltzmann.org/) for more information. diff --git a/examples/solv/README.md b/examples/solv/README.md index 5f4fdf1..ded0b80 100644 --- a/examples/solv/README.md +++ b/examples/solv/README.md @@ -8,7 +8,7 @@ The source for this example is UHBD. Input File | Description | APBS Version | Methanol Results (kJ/mol) | Methoxide Results (kJ/mol) |Difference (kJ/mol)| Methanol UHBD (kJ/mol)|Methoxide UHBD (kJ/mol)|Difference UHBD (kJ/mol) ---------------------------|---------|-------------|----------|----|-----------|------|----------|-------------- -[apbs-mol.in](apbs-mol.in)| Focusing to 0.25 A, srfm mol| **1.4.2-binary** | **-36.2486** | **-390.4120**|**-354.1640**|-35.595|-390.023|-354.424 +[apbs-mol.in](apbs-mol.in)| Focusing to 0.25 A, srfm mol| **1.4.2** | **-36.2486** | **-390.4120**|**-354.1640**|-35.595|-390.023|-354.424 | | |1.4.1 |-36.2486|-390.4122|-354.1635 | | |1.4 |-36.2486|-390.4122[3](#3)|-354.1635 | | |1.3 | -36.2486| -390.4121| -354.1635 @@ -19,7 +19,7 @@ Input File | Description | APBS Version | Methanol Resu | | |0.5.1 |-36.2486| -390.4119 | -354.1632 | | |0.5.0 |-36.2486| -390.4119 | -354.1632 | | |0.4.0 |-36.2486| -390.4119 | -354.1632 -[apbs-smol.in](apbs-smol.in) | Focusing to 0.25 A, srfm smol | **1.4.2-binary** | **-37.5759** | **391.2390**| **-353.6630**| -35.595| -390.023| -354.424 +[apbs-smol.in](apbs-smol.in) | Focusing to 0.25 A, srfm smol | **1.4.2** | **-37.5759** | **391.2390**| **-353.6630**| -35.595| -390.023| -354.424 | | |1.4.1|-37.5759|-391.2389|-353.6629 | | |1.4 |-37.5759[3](#3)|-391.2389[3](#3)| -353.6629 | | |1.3 |-37.5760| -391.2388| -353.6629 diff --git a/externals/geoflow_c b/externals/geoflow_c index e8ce510..8a6ff87 160000 --- a/externals/geoflow_c +++ b/externals/geoflow_c @@ -1 +1 @@ -Subproject commit e8ce510a670e0b7f3501e72be6141fc20328f947 +Subproject commit 8a6ff87e8e45b586a1b8f8a877a472c55eff69e1